CID 7129

2-ethoxynaphthalene

Structural Information

Molecular Formula
C12H12O
SMILES
CCOC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKey
GUMOJENFFHZAFP-UHFFFAOYSA-N
Compound name
2-ethoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

32
References

9638
Patents

172.08882 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09610 134.4
[M+Na]+ 195.07804 143.0
[M-H]- 171.08154 139.2
[M+NH4]+ 190.12264 156.1
[M+K]+ 211.05198 140.1
[M+H-H2O]+ 155.08608 128.5
[M+HCOO]- 217.08702 158.2
[M+CH3COO]- 231.10267 181.0
[M+Na-2H]- 193.06349 143.7
[M]+ 172.08827 136.0
[M]- 172.08937 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe